[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol

C18H23N3O2 — CID 110008942

IUPAC[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol
SMILESCOc1ccnc(N2CCN(Cc3ccc(CO)cc3)CC2)c1
InChIInChI=1S/C18H23N3O2/c1-23-17-6-7-19-18(12-17)21-10-8-20(9-11-21)13-15-2-4-16(14-22)5-3-15/h2-7,12,22H,8-11,13-14H2,1H3
InChIKeyWWLVHDMJACTIQE-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.90
Rot. Bonds5

About [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol

[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol (PubChem CID 110008942) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol
PubChem CID110008942
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol
SMILESCOc1ccnc(N2CCN(Cc3ccc(CO)cc3)CC2)c1
InChIInChI=1S/C18H23N3O2/c1-23-17-6-7-19-18(12-17)21-10-8-20(9-11-21)13-15-2-4-16(14-22)5-3-15/h2-7,12,22H,8-11,13-14H2,1H3
InChIKeyWWLVHDMJACTIQE-UHFFFAOYSA-N
XLogP1.90
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine
CID 122158640
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 119877691
[2-[4-(2-methylpropyl)piperazin-1-yl]-4-pyridinyl]methanol
CID 55116637
4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019557
6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-methylpyrimidin-4-amine
CID 138022474
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 154580901
1-[2-(2,3-difluorophenyl)ethyl]-4-(4-methoxy-2-pyridinyl)piperazine
CID 136529893
4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 133313581
1,4-bis[(3,5-difluorophenyl)methyl]-7,10-bis[[4-[4-[[4,7,10-tris[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]methyl]phenyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane
CID 177488325
[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 154738408
5-chloro-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 75424158

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol (CID 110008942) is [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol is COc1ccnc(N2CCN(Cc3ccc(CO)cc3)CC2)c1.
What is the InChIKey of [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol?
The InChIKey is WWLVHDMJACTIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-17-6-7-19-18(12-17)21-10-8-20(9-11-21)13-15-2-4-16(14-22)5-3-15/h2-7,12,22H,8-11,13-14H2,1H3.
What are the key properties of [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol?
[4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol has a molecular weight of 313.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methanol is sourced from PubChem (CID 110008942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).